Spectrum CCMSLIB00000852148 for NCGC00380741-01_C20H24O10_6-O-(3,4-Dihydroxy-2-methylenebutanoyl)-1-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranose

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
n/a
n/a
InChI=1S/C20H24O10/c1-11(13(22)9-21)19(27)28-10-14-16(24)17(25)18(26)20(29-14)30-15(23)8-7-12-5-3-2-4-6-12/h2-8,13-14,16-18,20-22,24-26H,1,9-10H2/b8-7+/t13?,14-,16-,17+,18-,20+/m1/s1
C20H24O10
424.13694696799996
O=C(OC1OC(COC(=O)C(=C)C(O)CO)C(O)C(O)C1O)C=CC=2C=CC=CC2
MYWZGSROPRXVPM-AUMMCNCRSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
424.137
1
positive
G4_RG4_01_7979.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.907740688053024
0.6510972932710091
425.144
[M+H]+
2.156840976130174 ppm
-9.169679999558866E-4 Da